Chemical ID: 6667868

Cc1ccc(cc1)C(=O)C=Cc2cc(ccc2Cl)[N+](=O)[O-]
Chemical ID:
6667868
Name [?]:
3-(2-chloro-5-nitro-phenyl)-1-(p-tolyl)prop-2-en-1-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C=Cc2cc(ccc2Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H12ClNO3/c1-11-2-4-12(5-3-11)16(19)9-6-13-10-14(18(20)21)7-8-15(13)17/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,15,16,10,13,2,5,12,14,17,8,18,19,9,20,21/E:(2,3)(4,5)(20,21)/CRV:18.5/rA:21nCCCCCCCCOCCCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s17;s14;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12ClNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.44929
Area:490.737
Solvation:-6.81913
Coulombic:-23.017
Bond Count [?]
All:22
Single:13
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:301.724
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.68
LogP (Chemaxon):4.95

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